6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one

C20H23Cl2N3O2 — CID 98338414

IUPAC6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C1
InChIInChI=1S/C20H23Cl2N3O2/c1-19(2)6-13-7-20(3,9-19)10-25(13)16(26)8-24-11-23-17-14(18(24)27)4-12(21)5-15(17)22/h4-5,11,13H,6-10H2,1-3H3/t13-,20+/m0/s1
InChIKeyZCNXUHOZFPLCFJ-RNODOKPDSA-N
MW408.33 g/mol
LogP4.13
Rot. Bonds2

About 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one

6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one (PubChem CID 98338414) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one
PubChem CID98338414
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C1
InChIInChI=1S/C20H23Cl2N3O2/c1-19(2)6-13-7-20(3,9-19)10-25(13)16(26)8-24-11-23-17-14(18(24)27)4-12(21)5-15(17)22/h4-5,11,13H,6-10H2,1-3H3/t13-,20+/m0/s1
InChIKeyZCNXUHOZFPLCFJ-RNODOKPDSA-N
XLogP4.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one (CID 98338414) is 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one is CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C1.
What is the InChIKey of 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one?
The InChIKey is ZCNXUHOZFPLCFJ-RNODOKPDSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-19(2)6-13-7-20(3,9-19)10-25(13)16(26)8-24-11-23-17-14(18(24)27)4-12(21)5-15(17)22/h4-5,11,13H,6-10H2,1-3H3/t13-,20+/m0/s1.
What are the key properties of 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one?
6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one has a molecular weight of 408.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-oxo-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 98338414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).